(4-phenylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-phenylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (4-phenylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (4-phenylphenyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (4-phenylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (4-phenylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C23H21F3N3O+ MolecularWeight: 412.42755

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20F3N3O/c24-23(25,26)20-10-11-21(27-16-20)28-12-14-29(15-13-28)22(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,16H,12-15H2/p+1